MRS2782


SMILES O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
InChIKey PDEGDTTUBZXACY-ZOQUXTDFSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 6
Molecular weight (Da) 402.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y6 P2RY6 Human P2Y A pEC50 6.18 6.18 6.18 Guide to Pharmacology
P2Y6 P2RY6 Human P2Y A pEC50 6.16 6.24 6.47 ChEMBL
P2Y14 P2Y14 Human P2Y A pIC50 7.96 7.96 7.96 ChEMBL
P2Y14 P2Y14 Human P2Y A pEC50 7.96 7.96 7.96 ChEMBL